2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol
TL;DR: 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol (CAS 136353-70-3) is a chemical compound with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol
Also Known As: 2-Ateco, 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol, (1R,4S,5S,6S)-4-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-2-en-5-ol, (1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol, 3-{[2-(3-Methyl-3H-diaziren-3-yl)ethyl]sulfanyl}-7-oxabicyclo[4.1.0]hept-4-en-2-ol
| Molecular Formula | C10H14N2O2S |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.0776 |
| Heavy Atoms | 15 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 136353-70-3 |
|---|---|
| SMILES | CC1(N=N1)CCS[C@H]2C=C[C@@H]3[C@H]([C@@H]2O)O3 |
| InChIKey | YQXRPUYJCCCKEH-BZNPZCIMSA-N |
Product Overview
2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol (CAS 136353-70-3), with molecular formula C10H14N2O2S and molecular weight 226.08 g/mol. IUPAC: (1S,2S,3S,6R)-3-[2-(3-methyldiazirin-3-yl)ethylsulfanyl]-7-oxabicyclo[4.1.0]hept-4-en-2-ol.
Chemical Property Profile of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol
Property Insights of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol. Following Lipinski's Rule of Five, 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol?
The CAS number of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol is 136353-70-3.
What is the molecular formula of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol?
The molecular formula of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol is C10H14N2O2S.
What is the molecular weight of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol?
The molecular weight of 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol is 226.08 g/mol.
Where can I buy 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol?
You can request a quote for 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Azibutylthio)-5,6-epoxy-3-cyclohexen-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.